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Integrated Computational Materials Engineering (ICME) for Metals Using Multiscale Modeling to Invigorate Engineering Design with Science

ISBN-10: 1118022521

ISBN-13: 9781118022528

Edition: 2012

Authors: Mark F. Horstemeyer, Dierk Raabe

List price: $111.00
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Description:

This book delivers a comprehensive overview of the methods of Integrated Computational Materials Engineering (ICME), and provides clear examples to demonstrate the multiscale modeling methodology. It walks beginners through the various aspects of modeling and simulation related to materials processing. Moreover, it captures important constitutive relations and the material constants for those relations for different materials in a single collection. Many established engineering graduates who need to catch up on this topic will find what they need in this text.
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Book details

List price: $111.00
Copyright year: 2012
Publisher: John Wiley & Sons, Limited
Publication date: 8/17/2012
Binding: Hardcover
Pages: 472
Size: 6.25" wide x 9.25" long x 1.25" tall
Weight: 2.2

Foreword
Preface
Acknowledgments
An Introduction to Integrated Computational Materials Engineering (ICME)
Background
The Application of Multiscale Materials Modeling via ICME
History of Multiscale Modeling
Bridging between Scales: A Difference of Disciplines
ICME for Design
Design Optimization
Metamodeling Approaches
Design with Uncertainty Analysis
ICME for Manufacturing
Summary
References
Macroscale Continuum Internal State Variable (ISV) Plasticity�Damage Theory and Multistage Fatigue (MSF)
Introduction
Stress
Kinematics of Deformation and Strain
Continuum Theory Constitutive Equations
Thermodynamics of the ISV Constitutive Equations
Kinetics of the ISV Constitutive Equations
Continuum Theory ISV Constitutive Equations with Discrete Structures/Defects
Guidelines for the Development of an ISV
Multistage Fatigue (MSF) Modeling
Bridging Strategies for the Macroscale and the Mesoscale
Downscaling: Defi ning the Macroscale Constraints for the Mesoscale Analysis
Upscaling: Using Design of Experiments (DOE) for Mesoscale Analysis
Experimental Exploration, Calibration, and Validation at the Macroscale
Summary
References
Mesoscale Analysis: Continuum Theory Methods with Discrete Features/Methods
Kinematics of Crystal Plasticity
Kinetics of Crystal Plasticity
Crystal Orientations and Elasticity
Upscaling: Bridging the Crystal Level to the Polycrystalline Continuum Level
Upscaling for Plasticity
Upscaling for Damage/Fracture
Upscaling for Fatigue
Downscaling from Crystal Plasticity to Dislocation Dynamics
Plasticity
Damage
Fatigue
Experimental Exploration, Calibration, and Validation at the Mesoscale
Summary
References
Discrete Dislocation Dynamics Simulations
Introduction
Metal Plasticity Modeling
Dislocation Mechanics Basics
Geometrical Attributes of Dislocations
Dislocation Motion
Dislocation Motion and Plastic Strain
Dislocations Reactions
Modeling Discrete Dislocations
Dislocation Equation of Motion
Evaluation of Fdislocation
Evaluation of Fself
Boundary Conditions
Upscaling for Plasticity
Upscaling for the Macroscopic Plastic Strain
Upscaling: Bridging the Dislocation Level to the Macroscale Continuum Level Stresses and Strains
Upscaling for Work Hardening
Downscaling from DD to Atomistics
Summary
References
Atomistic Modeling Methods
EAM Potentials
MEAM Potentials
Upscaling: Bridging the Atomic Level to the Dislocation Density Level and the Continuum Level
Continuum Quantities for Upscaling
Upscaling for Plasticity
Upscaling for Damage
Upscaling for Fatigue
Downscaling from Atomistics to Electronics Structures Calculations
Summary
References
Electronic Structure Calculations
Introduction
Why Quantum Mechanics?
Theoretical Background
Postulates of Quantum Mechanics
Prior to Density Functional Theory (DFT)
DFT
Upscaling: Bridging the Electron Level to the Atom Level
Cohesive Energy
Lattice Parameter
Bulk Moduli
Elastic Constants
Vacancy Formation Energies
Interstitial Defects
Surface Formation Energies
Surface Adsorption Energies
Stacking Fault Energies
GSFE Curve
Summary
Bibliography
Cited References
Uncited References
Case Study: From Atoms to Autos: A Redesign of a Cadillac Control Arm
Introduction
Material: Cast A356 Aluminum Alloy
Modeling Philosophy
Macroscale Microstructure�Property Internal State Variable (ISV) Plasticity�Damage Model
Kinematics of the Macroscale Model
Void Nucleation, Growth, and Coalescence Aspects of the Macroscale Model
Elastic�Plastic Aspects of Macroscale Continuum Model
Macroscale Continuum Model Summary
Atomistic Level Downscaling Requirements
Atomistic Simulation Preliminaries
Aluminum�Silicon Interface Structure and Model Sensitivity